MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00181662

Type: Neutral
Formula: C₁₇H₁₀F₆N₂O₂

SMILES:

FC(F)(F)C(=O)Nc1cc2-c3cc(NC(=O)C(F)(F)F)ccc3Cc2cc1

InChI:

InChI=1/C17H10F6N2O2/c18-16(19,20)14(26)24-10-3-1-8-5-9-2-4-11(7-13(9)12(8)6-10)25-15(27)17(21,22)23/h1-4,6-7H,5H2,(H,24,26)(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=153.771 kcal/mol

Physical Properties
Molecular Weight: 388.267 g/mol	logS: -6.8523	SlogP: 5.09917	Reactive groups: 0

Topological Properties
Globularity: 0.0183178	Sterimol/B1: 2.54628	Sterimol/B2: 2.94356	Sterimol/B3: 3.85533
Sterimol/B4: 6.0724	Sterimol/L: 17.5671

Surface and Volume Properties
Accessible surface: 568.632	Positive charged surface: 201.9	Negative charged surface: 355.059	Volume: 290.125
Hydrophobic surface: 253.779	Hydrophilic surface: 314.853

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.